SCHEMBL482116

SCHEMBL482116

COc1cccc(CN2CC(=O)Nc3ncc(Br)nc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TNIK Q9UKE5 5/20 0.43
CMA1 P23946 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
TSHR P16473 4/20 0.41
CYP2C19 P33261 4/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
PKM P14618 2/20 0.41
AURKA O14965 1/20 0.40
USP2 O75604 3/20 0.40
CYP2C9 P11712 3/20 0.40
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
CLK4 Q9HAZ1 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29522322 0.83 MTOR (0.58) MEN1KMT2ATNIKALDH1A1ROCK2
SCHEMBL136928 0.83 MTOR (0.58) MEN1KMT2ATNIKALDH1A1ROCK2
SCHEMBL482032 0.78 CMA1 (0.48) MEN1KMT2ACMA1ALDH1A1CYP1A2
SCHEMBL158594 0.75 MTOR (0.50)
SCHEMBL9871627 0.71 SIGMAR1 (0.60) MEN1KMT2ACMA1ALDH1A1LMNA
SCHEMBL27586255 0.68 HSD17B10 (0.52) MEN1KMT2ACMA1CYP3A4TLR8
SCHEMBL17396387 0.67 MEN1 (0.44) MEN1KMT2ATNIKCMA1ALDH1A1
SCHEMBL4004474 0.66 MEN1 (0.67) MEN1KMT2ACMA1ALDH1A1CYP2C19
SCHEMBL30527306 0.66 MEN1 (0.67) MEN1KMT2ACMA1ALDH1A1CYP2C19
SCHEMBL29522509 0.66 MTOR (0.44) TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA MEN1 3409/4885KMT2A 762/4885TNIK 412/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 MEN1 3172/4885KMT2A 703/4885TNIK 516/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.